REMARK  Name = BDB035261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.233  -0.160  -3.384  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        0.462  -1.173  -2.701  0.00  0.00    +0.075 S 
ATOM      3  O   LIG    1        0.389  -2.522  -3.226  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.003  -1.300  -1.024  0.00  0.00    +0.144 A 
ATOM      5  C   LIG    1        1.494  -0.180  -0.363  0.00  0.00    +0.158 A 
ATOM      6  F   LIG    1        1.557   1.007  -0.985  0.00  0.00    -0.203 F 
ATOM      7  C   LIG    1        1.898  -0.260   0.980  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        1.828  -1.505   1.648  0.00  0.00    -0.015 A 
ATOM      9  C   LIG    1        2.231  -1.588   2.990  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        2.691  -0.457   3.667  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        2.758   0.769   3.013  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        1.359  -2.634   0.957  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.365   0.867   1.678  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        0.950  -2.537  -0.374  0.00  0.00    +0.032 A 
ENDBRANCH   2   4
BRANCH   2  15
ATOM     15  N   LIG    1       -1.143  -0.679  -2.560  0.00  0.00    -0.214 N 
ATOM     16  H   LIG    1       -1.819  -1.437  -2.603  0.00  0.00    +0.174 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -1.462   0.516  -1.869  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1       -2.055   0.482  -0.595  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1       -2.331   1.647   0.144  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -2.910   1.206   1.376  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1       -2.963  -0.169   1.359  0.00  0.00    +0.103 A 
ATOM     22 CL   LIG    1       -3.449   2.164   2.675  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -1.988   2.878  -0.462  0.00  0.00    +0.052 A 
ATOM     24 CL   LIG    1       -2.304   4.321   0.398  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -1.397   2.932  -1.726  0.00  0.00    +0.022 A 
ATOM     26  N   LIG    1       -2.444  -0.595   0.172  0.00  0.00    -0.358 N 
ATOM     27  H   LIG    1       -2.349  -1.562  -0.104  0.00  0.00    +0.165 HD
ATOM     28  C   LIG    1       -1.133   1.757  -2.418  0.00  0.00    +0.028 A 
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 3